3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

C17H25N5O2 — CID 112960867

IUPAC3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C17H25N5O2/c1-5-9-22(10-6-2)16-12-18-21-17(20-16)19-13-7-8-14(23-3)15(11-13)24-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20,21)
InChIKeyIKEGGIRQMZKSDX-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.26
Rot. Bonds9

About 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112960867) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112960867
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C17H25N5O2/c1-5-9-22(10-6-2)16-12-18-21-17(20-16)19-13-7-8-14(23-3)15(11-13)24-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20,21)
InChIKeyIKEGGIRQMZKSDX-UHFFFAOYSA-N
XLogP3.26
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960892
5-N-benzyl-5-N-ethyl-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112951674
3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960826
5-N-(3,4-dimethoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963593
5-N-(3,4-dimethoxyphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967269
3-N-(3,4-dimethoxyphenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967069
3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967203
3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960914
5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958215
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
3-N-butyl-5-N-(3,4-dimethoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960196
3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112939367

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112960867) is 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1cnnc(Nc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is IKEGGIRQMZKSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-9-22(10-6-2)16-12-18-21-17(20-16)19-13-7-8-14(23-3)15(11-13)24-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20,21).
What are the key properties of 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 331.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112960867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).